UCSF

ZINC40505926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.91 -0.32 -243.23 3 15 -3 230 438.206 7
Mid Mid (pH 6-8) -1.91 -1.48 -124.37 4 15 -2 227 439.214 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )